2-[4-(4-butylpiperazin-1-yl)pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[4-(4-butylpiperazin-1-yl)pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[4-(4-butylpiperazin-1-yl)-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[4-(4-butyl-1-piperazinyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[4-(4-butylpiperazin-1-yl)pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[4-(4-butylpiperazino)-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=NC=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=NC=C2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C21H26N6O/c1-2-3-9-26-10-12-27(13-11-26)18-7-8-23-14-16(18)21-24-17-6-4-5-15(20(22)28)19(17)25-21/h4-8,14H,2-3,9-13H2,1H3,(H2,22,28)(H,24,25)